2-[(2-bromanyl-4,5-diethoxy-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(2-bromanyl-4,5-diethoxy-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(2-bromo-4,5-diethoxy-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-[(2-bromo-4,5-diethoxyphenyl)methylthio]-5-(4-methoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(2-bromo-4,5-diethoxyphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(2-bromo-4,5-diethoxy-benzyl)thio]-5-(4-methoxyphenyl)-1,3,4-oxadiazole Formula: C20H21BrN2O4S MolecularWeight: 465.36074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CSC2=NN=C(O2)C3=CC=C(C=C3)OC)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CSC2=NN=C(O2)C3=CC=C(C=C3)OC)Br)OCC

InChI

InChI=1S/C20H21BrN2O4S/c1-4-25-17-10-14(16(21)11-18(17)26-5-2)12-28-20-23-22-19(27-20)13-6-8-15(24-3)9-7-13/h6-11H,4-5,12H2,1-3H3